1,1-Dimethylethyl N-[(3R)-1-[3-[(2-cyanophenyl)methyl]-1,2,3,6-tetrahydro-1-methyl-2,6-dioxo-4-pyrimidinyl]-3-piperidinyl]carbamate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H29N5O4
Molecular Weight	439.5075
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,1-Dimethylethyl N-[(3R)-1-[3-[(2-cyanophenyl)methyl]-1,2,3,6-tetrahydro-1-methyl-2,6-dioxo-4-pyrimidinyl]-3-piperidinyl]carbamate

Structure Search

SMILES

CN1C(=O)C=C(N2CCC[C@H](C2)NC(=O)OC(C)(C)C)N(CC3=C(C=CC=C3)C#N)C1=O

InChI

InChIKey=VKXJOQVLADBJKD-GOSISDBHSA-N

InChI=1S/C23H29N5O4/c1-23(2,3)32-21(30)25-18-10-7-11-27(15-18)19-12-20(29)26(4)22(31)28(19)14-17-9-6-5-8-16(17)13-24/h5-6,8-9,12,18H,7,10-11,14-15H2,1-4H3,(H,25,30)/t18-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H29N5O4
Molecular Weight	439.5075
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:55:33 GMT 2023` Edited by `admin` on `Sat Dec 16 19:55:33 GMT 2023`
Record UNII	CN6934BAY4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,1-Dimethylethyl N-[(3R)-1-[3-[(2-cyanophenyl)methyl]-1,2,3,6-tetrahydro-1-methyl-2,6-dioxo-4-pyrimidinyl]-3-piperidinyl]carbamate

Systematic Name

English

2-[[6-[(3R)-3-tert-butoxycarbonylamino-1-piperidinyl]-3,4-dihydro-2,4-dioxo-3-methyl-1(2H)-pyrimidinyl]methyl]benzonitrile

Systematic Name

English

Carbamic acid, N-[(3R)-1-[3-[(2-cyanophenyl)methyl]-1,2,3,6-tetrahydro-1-methyl-2,6-dioxo-4-pyrimidinyl]-3-piperidinyl]-, 1,1-dimethylethyl ester

Systematic Name

English

Alogliptin Related Compound 29

Common Name

English

Code System Code Type Description

CAS

1246610-74-1

Created by admin on Sat Dec 16 19:55:33 GMT 2023 , Edited by admin on Sat Dec 16 19:55:33 GMT 2023

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PUBCHEM

46918045

Created by admin on Sat Dec 16 19:55:33 GMT 2023 , Edited by admin on Sat Dec 16 19:55:33 GMT 2023

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FDA UNII

CN6934BAY4

Created by admin on Sat Dec 16 19:55:33 GMT 2023 , Edited by admin on Sat Dec 16 19:55:33 GMT 2023

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